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Biomolecular hydration dynamics: a jump model perspective
Biomolecular hydration dynamics: a jump model perspective
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Biomolecular hydration dynamics: a jump model perspective

Fogarty, Aoife C ; Dubou-Dijon, Elise ; Sterpone, Fabio ; Hynes, James T ; Laage, Damien

Chemical Society reviews, 2013-01, Vol.42 (13), p.5672-5683 [Periódico revisado por pares]

England: Royal Society of Chemistry

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ChemInform Abstract: Biomolecular Hydration Dynamics: A Jump Model Perspective
ChemInform Abstract: Biomolecular Hydration Dynamics: A Jump Model Perspective
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ChemInform Abstract: Biomolecular Hydration Dynamics: A Jump Model Perspective

Fogarty, Aoife C. ; Duboue-Dijon, Elise ; Sterpone, Fabio ; Hynes, James T. ; Laage, Damien

ChemInform, 2013-08, Vol.44 (35), p.no-no

Weinheim: WILEY-VCH Verlag

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Temperature Dependence of Hydrophobic Hydration Dynamics: From Retardation to Acceleration
Temperature Dependence of Hydrophobic Hydration Dynamics: From Retardation to Acceleration
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Temperature Dependence of Hydrophobic Hydration Dynamics: From Retardation to Acceleration

Duboué-Dijon, Elise ; Fogarty, Aoife C ; Laage, Damien

The journal of physical chemistry. B, 2014-02, Vol.118 (6), p.1574-1583 [Periódico revisado por pares]

United States: American Chemical Society

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4
Origins of the non-exponential reorientation dynamics of nanoconfined water
Origins of the non-exponential reorientation dynamics of nanoconfined water
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Origins of the non-exponential reorientation dynamics of nanoconfined water

Fogarty, Aoife C ; Duboué-Dijon, Elise ; Laage, Damien ; Thompson, Ward H

The Journal of chemical physics, 2014-11, Vol.141 (18), p.18C523-18C523 [Periódico revisado por pares]

United States: American Institute of Physics

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5
Comparative study of hydration shell dynamics around a hyperactive antifreeze protein and around ubiquitin
Comparative study of hydration shell dynamics around a hyperactive antifreeze protein and around ubiquitin
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Comparative study of hydration shell dynamics around a hyperactive antifreeze protein and around ubiquitin

Duboué-Dijon, Elise ; Laage, Damien

The Journal of chemical physics, 2014-12, Vol.141 (22), p.22D529-22D529 [Periódico revisado por pares]

United States: American Institute of Physics

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6
Characterization of the Local Structure in Liquid Water by Various Order Parameters
Characterization of the Local Structure in Liquid Water by Various Order Parameters
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Characterization of the Local Structure in Liquid Water by Various Order Parameters

Duboué-Dijon, Elise ; Laage, Damien

The journal of physical chemistry. B, 2015-07, Vol.119 (26), p.8406-8418 [Periódico revisado por pares]

United States: American Chemical Society

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7
Dynamical Disorder in the DNA Hydration Shell
Dynamical Disorder in the DNA Hydration Shell
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Dynamical Disorder in the DNA Hydration Shell

Duboué-Dijon, Elise ; Fogarty, Aoife C ; Hynes, James T ; Laage, Damien

Journal of the American Chemical Society, 2016-06, Vol.138 (24), p.7610-7620 [Periódico revisado por pares]

United States: American Chemical Society

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8
Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations
Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations
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Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

Duboué-Dijon, Elise ; Mason, Philip E. ; Fischer, Henry E. ; Jungwirth, Pavel

The Journal of chemical physics, 2017-05, Vol.146 (18) [Periódico revisado por pares]

Melville: American Institute of Physics

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9
Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent
Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent
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Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

Duboué-Dijon, Elise ; Pluhařová, Eva ; Domin, Dominik ; Sen, Kakali ; Fogarty, Aoife C ; Chéron, Nicolas ; Laage, Damien

The journal of physical chemistry. B, 2017-07, Vol.121 (29), p.7027-7041 [Periódico revisado por pares]

United States: American Chemical Society

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10
Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects
Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects
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Ab Initio Simulations of Water Dynamics in Aqueous TMAO Solutions: Temperature and Concentration Effects

Stirnemann, Guillaume ; Duboué-Dijon, Elise ; Laage, Damien

The journal of physical chemistry. B, 2017-12, Vol.121 (49), p.11189-11197 [Periódico revisado por pares]

United States: American Chemical Society

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